Project name: 3998280d0c9fc04

Status: done

Started: 2026-04-11 13:11:56
Settings
Chain sequence(s) A: GCLLDLKQLLEYYEYALK
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)
Show buried residues

Minimal score value
-1.4181
Maximal score value
1.9731
Average score
0.3363
Total score value
6.0536

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
1 G A 0.3640
2 C A 1.2856
3 L A 1.9731
4 L A 0.9450
5 D A -0.8977
6 L A 0.2597
7 K A -1.4181
8 Q A -1.0389
9 L A 0.4653
10 L A 0.3619
11 E A -0.6889
12 Y A 1.1085
13 Y A 1.2186
14 E A -0.2236
15 Y A 0.9918
16 A A 0.9771
17 L A 1.0139
18 K A -0.6437
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018